3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol

C24H31N5O — CID 136607564

IUPAC3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
SMILESCc1cnc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2c1
InChIInChI=1S/C24H31N5O/c1-15-9-16-10-21(30)18(11-20(16)25-14-15)19-7-8-22(27-26-19)29(6)17-12-23(2,3)28-24(4,5)13-17/h7-11,14,17,28,30H,12-13H2,1-6H3
InChIKeyLNCLQDJLRSOWFL-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.45
Rot. Bonds3

About 3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol

3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol (PubChem CID 136607564) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol.

Molecular Properties

Compound Name3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
PubChem CID136607564
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
SMILESCc1cnc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2c1
InChIInChI=1S/C24H31N5O/c1-15-9-16-10-21(30)18(11-20(16)25-14-15)19-7-8-22(27-26-19)29(6)17-12-23(2,3)28-24(4,5)13-17/h7-11,14,17,28,30H,12-13H2,1-6H3
InChIKeyLNCLQDJLRSOWFL-UHFFFAOYSA-N
XLogP4.45
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The IUPAC name of 3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol (CID 136607564) is 3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol.
What is the SMILES notation for 3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The canonical SMILES for 3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol is Cc1cnc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2c1.
What is the InChIKey of 3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The InChIKey is LNCLQDJLRSOWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-15-9-16-10-21(30)18(11-20(16)25-14-15)19-7-8-22(27-26-19)29(6)17-12-23(2,3)28-24(4,5)13-17/h7-11,14,17,28,30H,12-13H2,1-6H3.
What are the key properties of 3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol has a molecular weight of 405.55 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol is sourced from PubChem (CID 136607564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).